N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide

C20H26N2O2 — CID 21396739

IUPACN-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide
SMILESCCCCN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C20H26N2O2/c1-4-5-13-22(15-17-9-7-6-8-10-17)19-14-18(21-16(2)23)11-12-20(19)24-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChIKeyYIDYRGDLJGUTSK-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.46
Rot. Bonds8

About N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide

N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide (PubChem CID 21396739) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide
PubChem CID21396739
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide
SMILESCCCCN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C20H26N2O2/c1-4-5-13-22(15-17-9-7-6-8-10-17)19-14-18(21-16(2)23)11-12-20(19)24-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
InChIKeyYIDYRGDLJGUTSK-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide
CID 141427351
N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline
CID 159919697
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 3629462
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
2-oxobutyl 3-(5-acetamido-4-amino-N-benzyl-2-methoxyanilino)propanoate
CID 155150518
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide (CID 21396739) is N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide is CCCCN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide?
The InChIKey is YIDYRGDLJGUTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-5-13-22(15-17-9-7-6-8-10-17)19-14-18(21-16(2)23)11-12-20(19)24-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide?
N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 21396739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).